2-Phenylethyl Methyl Ether - ≥98%(GC) , CAS No.3558-60-9

CAS: 3558-60-9 Cat. No.: P160567 分子式: C₉H₁₂O 分子量: 136.19 EC番号: 222-619-7 PubChem CID: 19089

GRADE & PURITY ≥98%(GC)

Synonyms

chrysanthemum oxide | SY053300 | 2-Phenethyl methyl ether | Phenethyl methyl ether | .beta.-Phenylethyl methyl ether | Methyl phenethyl ether | UNII-79089Z2R3S | (2-Methoxyethyl)benzene | (2-methoxyethyl)-Benzene | 4-06-00-03069 (Beilstein Handbook Refere

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

chrysanthemum oxide | SY053300 | 2-Phenethyl methyl ether | Phenethyl methyl ether | .beta.-Phenylethyl methyl ether | Methyl phenethyl ether | UNII-79089Z2R3S | (2-Methoxyethyl)benzene | (2-methoxyethyl)-Benzene | 4-06-00-03069 (Beilstein Handbook Refere

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488182523
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182523
• カノニカル・スマイル: COCCC1=CC=CC=C1
• IUPAC Name: 2-methoxyethylbenzene
• InChIKey: CQLYXIUHVFRXLT-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
• 異性体SMILES: COCCC1=CC=CC=C1
• RTECS: KO2230000
• PubChem CID: 19089
• 分子量: 136.19
• Reaxy-Rn: 1857538

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.5
• 引火点（°F）: 80°C(lit.)
• 引火点（°C）: 80°C(lit.)
• 沸点（°C）: 190°C(lit.)
• 分子量: 136.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3558-60-9, the molecular formula is C9H12O, and the molecular weight is 136.19 g/mol. InChIKey CQLYXIUHVFRXLT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.